Molecule

ID:105001

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₂
Molecular Mass
292.33184
Exact Mass
292.12117776
Charge
0
InChI
InChI=1S/C18H16N2O2/c1-2-22-14-9-7-13(8-10-14)19-20-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3
InChIKey
JSEYDVLGSMLKDL-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)/N=N/c1ccc(c2c1cccc2)O
Isomeric Smiles
CCOc1ccc(cc1)/N=N/c1c2ccccc2c(O)cc1
Calculated Properties
JChem
Acid pKa
8.063316
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.263004
LogD (pH = 7.4)
5.1794925
Log P
5.264188
Molar Refractivity
90.0199
Polarizability
34.06874
Polar Surface Area
54.18
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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